ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate

C23H27N5O6 — CID 3806439

IUPACethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
SMILESCCOC(=O)CON=C(C(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1)c1ccn[nH]1
InChIInChI=1S/C23H27N5O6/c1-2-32-20(29)15-33-26-21(18-8-11-24-25-18)22(30)27-12-9-17(10-13-27)28-14-19(34-23(28)31)16-6-4-3-5-7-16/h3-8,11,17,19H,2,9-10,12-15H2,1H3,(H,24,25)
InChIKeyZHBOGWWWQSJVFE-UHFFFAOYSA-N
MW469.50 g/mol
LogP1.88
Rot. Bonds8

About ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate

ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (PubChem CID 3806439) has the molecular formula C23H27N5O6 and a molecular weight of 469.50 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
PubChem CID3806439
Molecular FormulaC23H27N5O6
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Nameethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
SMILESCCOC(=O)CON=C(C(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1)c1ccn[nH]1
InChIInChI=1S/C23H27N5O6/c1-2-32-20(29)15-33-26-21(18-8-11-24-25-18)22(30)27-12-9-17(10-13-27)28-14-19(34-23(28)31)16-6-4-3-5-7-16/h3-8,11,17,19H,2,9-10,12-15H2,1H3,(H,24,25)
InChIKeyZHBOGWWWQSJVFE-UHFFFAOYSA-N
XLogP1.88
TPSA126.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
CID 135821927
ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
CID 135613260
ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
CID 3685869
ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
CID 3847843
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23763355
3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 3820511
ethyl 2-[[2-oxo-2-[3-(oxolan-3-ylmethoxy)propylamino]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
CID 136535442
ethyl 2-[(E)-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
CID 136865452
5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3811625
5-phenyl-3-[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23761134
5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3576442
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The IUPAC name of ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (CID 3806439) is ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The canonical SMILES for ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is CCOC(=O)CON=C(C(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1)c1ccn[nH]1.
What is the InChIKey of ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The InChIKey is ZHBOGWWWQSJVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6/c1-2-32-20(29)15-33-26-21(18-8-11-24-25-18)22(30)27-12-9-17(10-13-27)28-14-19(34-23(28)31)16-6-4-3-5-7-16/h3-8,11,17,19H,2,9-10,12-15H2,1H3,(H,24,25).
What are the key properties of ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate has a molecular weight of 469.50 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is sourced from PubChem (CID 3806439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).